N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide

C21H34N2O4S — CID 100710859

IUPACN-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCc1cccc(N(CCCC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C21H34N2O4S/c1-17-9-6-12-20(18(17)2)23(28(3,25)26)15-7-13-21(24)22-14-8-16-27-19-10-4-5-11-19/h6,9,12,19H,4-5,7-8,10-11,13-16H2,1-3H3,(H,22,24)
InChIKeyGNQWKUWWQZCGNE-UHFFFAOYSA-N
MW410.58 g/mol
LogP3.32
Rot. Bonds11

About N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide

N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide (PubChem CID 100710859) has the molecular formula C21H34N2O4S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
PubChem CID100710859
Molecular FormulaC21H34N2O4S
Molecular Weight410.58 g/mol
Exact Mass410.22
IUPAC NameN-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCc1cccc(N(CCCC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C21H34N2O4S/c1-17-9-6-12-20(18(17)2)23(28(3,25)26)15-7-13-21(24)22-14-8-16-27-19-10-4-5-11-19/h6,9,12,19H,4-5,7-8,10-11,13-16H2,1-3H3,(H,22,24)
InChIKeyGNQWKUWWQZCGNE-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 100710774
N-[3-(azepan-1-yl)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100511214
N-(3-cyclohexyloxypropyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 30224429
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30222862
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 100767592
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide (CID 100710859) is N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide is Cc1cccc(N(CCCC(=O)NCCCOC2CCCC2)S(C)(=O)=O)c1C.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide?
The InChIKey is GNQWKUWWQZCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4S/c1-17-9-6-12-20(18(17)2)23(28(3,25)26)15-7-13-21(24)22-14-8-16-27-19-10-4-5-11-19/h6,9,12,19H,4-5,7-8,10-11,13-16H2,1-3H3,(H,22,24).
What are the key properties of N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide?
N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide has a molecular weight of 410.58 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 100710859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).